# generated using pymatgen data_CeReB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67895495 _cell_length_b 6.00451733 _cell_length_c 11.63199451 _cell_angle_alpha 89.99972305 _cell_angle_beta 90.00001628 _cell_angle_gamma 89.99998817 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeReB4 _chemical_formula_sum 'Ce4 Re4 B16' _cell_volume 256.95481542 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 -0.00000030 0.12663625 0.15033931 1.0 Ce Ce1 1 -0.00000036 0.87338817 0.84963952 1.0 Ce Ce2 1 0.00000161 0.62662575 0.34965740 1.0 Ce Ce3 1 -0.00000006 0.37337959 0.65036313 1.0 Re Re4 1 0.00000021 0.13600935 0.40863445 1.0 Re Re5 1 -0.00000036 0.86397589 0.59136802 1.0 Re Re6 1 -0.00000042 0.63602561 0.09135915 1.0 Re Re7 1 0.00000072 0.36396100 0.90863825 1.0 B B8 1 0.49999970 0.52452521 0.80984069 1.0 B B9 1 0.50000004 0.47546839 0.19015833 1.0 B B10 1 0.49999972 0.02453429 0.69016557 1.0 B B11 1 0.50000035 0.97546460 0.30983121 1.0 B B12 1 0.50000007 0.38823030 0.04600593 1.0 B B13 1 0.50000005 0.61176120 0.95398904 1.0 B B14 1 0.50000028 0.88822941 0.45399347 1.0 B B15 1 0.49999956 0.11176393 0.54601246 1.0 B B16 1 0.49999991 0.21486466 0.81525121 1.0 B B17 1 0.49999983 0.78514449 0.18475086 1.0 B B18 1 0.49999969 0.71485611 0.68475770 1.0 B B19 1 0.50000031 0.28514311 0.31523861 1.0 B B20 1 0.49999957 0.13875449 0.96872662 1.0 B B21 1 0.49999983 0.86125704 0.03127335 1.0 B B22 1 0.50000002 0.63874957 0.53127907 1.0 B B23 1 0.50000001 0.36125159 0.46872564 1.0